title: Atomistic study of misfit dislocation in metal/SiC(111) interfaces.
abstract: The interatomic potentials across metal/SiC(111) interfaces are derived from ab initio adhesive energies by an inversion method. We use these potentials to investigate the structures, energies and Burgers vectors of misfit dislocations in metal/SiC(111) interfaces. Two kinds of interfacial dislocations are found in M/SiC(111) (M = Au, Ag, Al, Pt) interfaces, where the M/SiC(111) (M = Au, Al) system has partial dislocations and the M/SiC(111) (M = Ag, Pt) system has perfect dislocations. The former has a coherent interface while the latter corresponds to a semi-coherent interface.
authors.affiliation: Department of Physics, Tsinghua University, Beijing, People's Republic of China. wangyd05@mails.tsinghua.edu.cn
authors.forename: Yudong
authors.initials: Y
authors.lastname: Wang
authors.forename: Nanxian
authors.initials: N
authors.lastname: Chen